methyl (4R,7R)-4-(2-butoxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: methyl (4R,7R)-4-(2-butoxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: methyl (4R,7R)-4-(2-butoxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R,7R)-4-(2-butoxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4R,7R)-4-(2-butoxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R,7R)-4-(2-butoxyphenyl)-5-keto-2-methyl-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid methyl ester Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2C3C(=NC(=C2C(=O)OC)C)CC(CC3=O)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=CC=C1[C@H]2C3C(=NC(=C2C(=O)OC)C)C[C@H](CC3=O)C4=CC=CC=C4

InChI

InChI=1S/C28H31NO4/c1-4-5-15-33-24-14-10-9-13-21(24)26-25(28(31)32-3)18(2)29-22-16-20(17-23(30)27(22)26)19-11-7-6-8-12-19/h6-14,20,26-27H,4-5,15-17H2,1-3H3/t20-,26-,27?/m1/s1